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138894-23-2 | Acetic acid, 2-bromo-2-(phenylmethoxy)-, phenylmethyl ester
CAS No: 138894-23-2 Catalog No: AG0019RS MDL No:
Product Description
Catalog Number:
AG0019RS
Chemical Name:
Acetic acid, 2-bromo-2-(phenylmethoxy)-, phenylmethyl ester
CAS Number:
138894-23-2
Molecular Formula:
C16H15BrO3
Molecular Weight:
335.1925
IUPAC Name:
benzyl 2-bromo-2-phenylmethoxyacetate
InChI:
InChI=1S/C16H15BrO3/c17-15(19-11-13-7-3-1-4-8-13)16(18)20-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChI Key:
SXYUUBWRJATMDN-UHFFFAOYSA-N
SMILES:
BrC(C(=O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.197g/mol
Monoisotopic Mass:
334.02g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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